USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 41:sc= 0.0168 USER MOD Set 1.2: A 101 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.116 (180deg=-1.14!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -51:sc= 0.65 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -7.8! C(o=-7.8!,f=-5.2!) USER MOD Single : A 37 GLN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.233 USER MOD Single : A 72 LYS NZ :NH3+ 163:sc=-0.000246 (180deg=-0.164) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 46:sc= 0.772 USER MOD Single : A 85 THR OG1 : rot 140:sc= -0.242 USER MOD Single : A 89 TYR OH : rot 165:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.748 X(o=-0.75,f=-0.85) USER MOD Single : A 92 CYS SG : rot -153:sc= -1.28 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -170:sc= -0.139 USER MOD Single : A 100 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 107 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.5!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 59:sc= -0.0504 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.218 -2.247 -8.142 1.00 0.00 N ATOM 102 CA TYR A 10 -4.131 -1.116 -8.142 1.00 0.00 C ATOM 103 C TYR A 10 -3.371 0.202 -7.975 1.00 0.00 C ATOM 104 O TYR A 10 -2.261 0.220 -7.445 1.00 0.00 O ATOM 105 CB TYR A 10 -5.050 -1.317 -6.936 1.00 0.00 C ATOM 106 CG TYR A 10 -6.219 -0.331 -6.874 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.302 -0.492 -7.715 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.191 0.717 -5.977 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.402 0.436 -7.656 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.291 1.645 -5.919 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.342 1.458 -6.761 1.00 0.00 C ATOM 112 OH TYR A 10 -9.381 2.334 -6.706 1.00 0.00 O ATOM 0 HA TYR A 10 -4.680 -1.065 -9.082 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.445 -2.333 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.461 -1.224 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.324 -1.313 -8.416 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.344 0.841 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.255 0.323 -8.308 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.281 2.470 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.226 1.844 -6.783 1.00 0.00 H new ATOM 122 N GLU A 11 -3.999 1.272 -8.438 1.00 0.00 N ATOM 123 CA GLU A 11 -3.397 2.591 -8.347 1.00 0.00 C ATOM 124 C GLU A 11 -4.479 3.672 -8.369 1.00 0.00 C ATOM 125 O GLU A 11 -5.553 3.469 -8.933 1.00 0.00 O ATOM 126 CB GLU A 11 -2.381 2.809 -9.470 1.00 0.00 C ATOM 127 CG GLU A 11 -2.931 2.315 -10.810 1.00 0.00 C ATOM 128 CD GLU A 11 -2.293 0.982 -11.206 1.00 0.00 C ATOM 129 OE1 GLU A 11 -2.119 0.143 -10.295 1.00 0.00 O ATOM 130 OE2 GLU A 11 -1.993 0.831 -12.410 1.00 0.00 O ATOM 0 H GLU A 11 -4.919 1.253 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.862 2.660 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.135 3.868 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.456 2.282 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.013 2.199 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.738 3.059 -11.583 1.00 0.00 H new ATOM 137 N GLY A 12 -4.159 4.798 -7.749 1.00 0.00 N ATOM 138 CA GLY A 12 -5.091 5.912 -7.690 1.00 0.00 C ATOM 139 C GLY A 12 -4.497 7.083 -6.906 1.00 0.00 C ATOM 140 O GLY A 12 -3.500 6.923 -6.204 1.00 0.00 O ATOM 0 H GLY A 12 -3.267 4.963 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.341 6.236 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.020 5.589 -7.220 1.00 0.00 H new ATOM 144 N ILE A 13 -5.135 8.235 -7.052 1.00 0.00 N ATOM 145 CA ILE A 13 -4.682 9.434 -6.365 1.00 0.00 C ATOM 146 C ILE A 13 -4.866 9.253 -4.857 1.00 0.00 C ATOM 147 O ILE A 13 -5.866 8.690 -4.413 1.00 0.00 O ATOM 148 CB ILE A 13 -5.386 10.671 -6.927 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.812 11.056 -8.292 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.329 11.832 -5.933 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.615 11.996 -8.139 1.00 0.00 C ATOM 0 H ILE A 13 -5.962 8.364 -7.635 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.618 9.594 -6.539 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.438 10.427 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.507 10.158 -8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.584 11.539 -8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.836 12.699 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.821 11.541 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.289 12.085 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.227 12.254 -9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.929 12.904 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.835 11.501 -7.560 1.00 0.00 H new ATOM 163 N LEU A 14 -3.886 9.741 -4.111 1.00 0.00 N ATOM 164 CA LEU A 14 -3.927 9.640 -2.662 1.00 0.00 C ATOM 165 C LEU A 14 -3.157 10.812 -2.052 1.00 0.00 C ATOM 166 O LEU A 14 -1.959 10.964 -2.289 1.00 0.00 O ATOM 167 CB LEU A 14 -3.424 8.269 -2.206 1.00 0.00 C ATOM 168 CG LEU A 14 -4.487 7.178 -2.061 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.848 5.832 -1.714 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.555 7.585 -1.044 1.00 0.00 C ATOM 0 H LEU A 14 -3.059 10.208 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.954 9.712 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.673 7.925 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.922 8.389 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.987 7.058 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.626 5.074 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.157 5.543 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.306 5.919 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.298 6.792 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.089 7.750 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.040 8.504 -1.374 1.00 0.00 H new ATOM 182 N TYR A 15 -3.875 11.612 -1.278 1.00 0.00 N ATOM 183 CA TYR A 15 -3.274 12.766 -0.631 1.00 0.00 C ATOM 184 C TYR A 15 -2.628 12.375 0.699 1.00 0.00 C ATOM 185 O TYR A 15 -3.092 11.456 1.372 1.00 0.00 O ATOM 186 CB TYR A 15 -4.421 13.742 -0.360 1.00 0.00 C ATOM 187 CG TYR A 15 -4.999 14.389 -1.620 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.717 13.628 -2.519 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.802 15.735 -1.857 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.261 14.236 -3.705 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.347 16.343 -3.043 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.049 15.564 -3.909 1.00 0.00 C ATOM 193 OH TYR A 15 -6.563 16.139 -5.029 1.00 0.00 O ATOM 0 H TYR A 15 -4.868 11.484 -1.084 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.497 13.198 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.218 13.213 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.067 14.526 0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.871 12.575 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.240 16.331 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.825 13.651 -4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.201 17.395 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.334 17.092 -5.042 1.00 0.00 H new ATOM 203 N LYS A 16 -1.566 13.092 1.038 1.00 0.00 N ATOM 204 CA LYS A 16 -0.851 12.831 2.275 1.00 0.00 C ATOM 205 C LYS A 16 -0.818 14.107 3.119 1.00 0.00 C ATOM 206 O LYS A 16 -0.279 15.126 2.689 1.00 0.00 O ATOM 207 CB LYS A 16 0.535 12.252 1.982 1.00 0.00 C ATOM 208 CG LYS A 16 1.250 11.858 3.276 1.00 0.00 C ATOM 209 CD LYS A 16 2.410 10.902 2.992 1.00 0.00 C ATOM 210 CE LYS A 16 3.238 10.655 4.255 1.00 0.00 C ATOM 211 NZ LYS A 16 4.551 10.068 3.906 1.00 0.00 N ATOM 0 H LYS A 16 -1.184 13.853 0.477 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.370 12.073 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.439 11.380 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.133 12.986 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.624 12.752 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.543 11.385 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.022 9.955 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.046 11.318 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.383 11.593 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.700 9.985 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.101 9.906 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.407 9.163 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.069 10.721 3.285 1.00 0.00 H new ATOM 225 N LYS A 17 -1.401 14.010 4.305 1.00 0.00 N ATOM 226 CA LYS A 17 -1.445 15.143 5.212 1.00 0.00 C ATOM 227 C LYS A 17 -0.050 15.762 5.317 1.00 0.00 C ATOM 228 O LYS A 17 0.938 15.049 5.484 1.00 0.00 O ATOM 229 CB LYS A 17 -2.036 14.728 6.561 1.00 0.00 C ATOM 230 CG LYS A 17 -2.274 15.946 7.455 1.00 0.00 C ATOM 231 CD LYS A 17 -3.156 15.585 8.651 1.00 0.00 C ATOM 232 CE LYS A 17 -3.667 16.844 9.356 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.250 16.848 10.776 1.00 0.00 N ATOM 0 H LYS A 17 -1.847 13.163 4.658 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.109 15.915 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.976 14.200 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.360 14.033 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.319 16.335 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.747 16.739 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.001 14.983 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.589 14.975 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.280 17.731 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.754 16.889 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.605 17.709 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.640 16.011 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.212 16.827 10.833 1.00 0.00 H new ATOM 337 N TRP A 24 -2.923 19.496 2.012 1.00 0.00 N ATOM 338 CA TRP A 24 -2.330 18.181 1.838 1.00 0.00 C ATOM 339 C TRP A 24 -1.801 18.087 0.406 1.00 0.00 C ATOM 340 O TRP A 24 -2.481 18.486 -0.538 1.00 0.00 O ATOM 341 CB TRP A 24 -3.335 17.078 2.178 1.00 0.00 C ATOM 342 CG TRP A 24 -3.850 17.128 3.618 1.00 0.00 C ATOM 343 CD1 TRP A 24 -3.821 18.162 4.469 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.476 16.050 4.345 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.381 17.831 5.687 1.00 0.00 N ATOM 346 CE2 TRP A 24 -4.792 16.506 5.609 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.767 14.733 3.948 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.414 15.710 6.578 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.389 13.950 4.928 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.713 14.394 6.204 1.00 0.00 C ATOM 0 HA TRP A 24 -1.497 18.039 2.527 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.183 17.151 1.497 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.868 16.109 2.003 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.411 19.133 4.232 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.476 18.446 6.495 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.529 14.355 2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.650 16.090 7.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.634 12.929 4.674 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.193 13.727 6.905 1.00 0.00 H new ATOM 361 N LYS A 25 -0.592 17.556 0.290 1.00 0.00 N ATOM 362 CA LYS A 25 0.036 17.404 -1.012 1.00 0.00 C ATOM 363 C LYS A 25 -0.585 16.208 -1.737 1.00 0.00 C ATOM 364 O LYS A 25 -0.669 15.115 -1.179 1.00 0.00 O ATOM 365 CB LYS A 25 1.556 17.313 -0.865 1.00 0.00 C ATOM 366 CG LYS A 25 2.158 18.679 -0.528 1.00 0.00 C ATOM 367 CD LYS A 25 3.656 18.562 -0.241 1.00 0.00 C ATOM 368 CE LYS A 25 4.465 19.458 -1.181 1.00 0.00 C ATOM 369 NZ LYS A 25 5.825 18.907 -1.379 1.00 0.00 N ATOM 0 H LYS A 25 -0.031 17.226 1.076 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.150 18.282 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.807 16.598 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.992 16.938 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.996 19.367 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.650 19.100 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.855 18.841 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.973 17.526 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.956 19.541 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.530 20.464 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.191 19.211 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.453 19.254 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.787 17.868 -1.346 1.00 0.00 H new ATOM 383 N ALA A 26 -1.004 16.457 -2.969 1.00 0.00 N ATOM 384 CA ALA A 26 -1.615 15.414 -3.776 1.00 0.00 C ATOM 385 C ALA A 26 -0.541 14.748 -4.638 1.00 0.00 C ATOM 386 O ALA A 26 0.150 15.418 -5.404 1.00 0.00 O ATOM 387 CB ALA A 26 -2.746 16.013 -4.613 1.00 0.00 C ATOM 0 H ALA A 26 -0.933 17.365 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.053 14.644 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.204 15.231 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.497 16.447 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.344 16.788 -5.266 1.00 0.00 H new ATOM 393 N ARG A 27 -0.433 13.436 -4.485 1.00 0.00 N ATOM 394 CA ARG A 27 0.545 12.672 -5.240 1.00 0.00 C ATOM 395 C ARG A 27 -0.068 11.356 -5.723 1.00 0.00 C ATOM 396 O ARG A 27 -1.100 10.923 -5.212 1.00 0.00 O ATOM 397 CB ARG A 27 1.782 12.369 -4.392 1.00 0.00 C ATOM 398 CG ARG A 27 3.051 12.891 -5.068 1.00 0.00 C ATOM 399 CD ARG A 27 3.680 14.024 -4.254 1.00 0.00 C ATOM 400 NE ARG A 27 4.458 14.914 -5.144 1.00 0.00 N ATOM 401 CZ ARG A 27 5.008 16.073 -4.754 1.00 0.00 C ATOM 402 NH1 ARG A 27 4.868 16.488 -3.488 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.697 16.816 -5.630 1.00 0.00 N ATOM 0 H ARG A 27 -1.007 12.883 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 27 0.845 13.274 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.675 12.827 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.865 11.294 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.768 12.078 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.813 13.247 -6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.902 14.594 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.329 13.611 -3.481 1.00 0.00 H new ATOM 0 HE ARG A 27 4.584 14.628 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.343 15.922 -2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.286 17.370 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.803 16.500 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.115 17.698 -5.333 1.00 0.00 H new ATOM 417 N TRP A 28 0.594 10.756 -6.701 1.00 0.00 N ATOM 418 CA TRP A 28 0.127 9.498 -7.259 1.00 0.00 C ATOM 419 C TRP A 28 0.736 8.361 -6.436 1.00 0.00 C ATOM 420 O TRP A 28 1.957 8.232 -6.356 1.00 0.00 O ATOM 421 CB TRP A 28 0.460 9.401 -8.749 1.00 0.00 C ATOM 422 CG TRP A 28 -0.056 8.128 -9.421 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.637 7.027 -9.745 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.412 7.865 -9.841 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.170 6.079 -10.341 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.455 6.605 -10.400 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.563 8.667 -9.750 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.626 6.034 -10.913 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.725 8.082 -10.267 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.786 6.814 -10.834 1.00 0.00 C ATOM 0 H TRP A 28 1.450 11.117 -7.122 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.959 9.429 -7.199 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.039 10.266 -9.262 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.542 9.452 -8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.694 6.898 -9.563 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.123 5.161 -10.676 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.552 9.656 -9.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.634 5.045 -11.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.639 8.656 -10.222 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.723 6.433 -11.212 1.00 0.00 H new ATOM 441 N PHE A 29 -0.143 7.565 -5.845 1.00 0.00 N ATOM 442 CA PHE A 29 0.293 6.443 -5.031 1.00 0.00 C ATOM 443 C PHE A 29 0.100 5.119 -5.773 1.00 0.00 C ATOM 444 O PHE A 29 -0.531 5.081 -6.829 1.00 0.00 O ATOM 445 CB PHE A 29 -0.576 6.440 -3.772 1.00 0.00 C ATOM 446 CG PHE A 29 -0.102 7.408 -2.686 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.560 8.545 -3.031 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.343 7.132 -1.376 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.999 9.444 -2.023 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.097 8.030 -0.369 1.00 0.00 C ATOM 451 CZ PHE A 29 0.759 9.167 -0.713 1.00 0.00 C ATOM 0 H PHE A 29 -1.155 7.675 -5.914 1.00 0.00 H new ATOM 0 HA PHE A 29 1.352 6.544 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.599 6.694 -4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.598 5.431 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.752 8.764 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.869 6.229 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.523 10.348 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.094 7.810 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.094 9.850 0.054 1.00 0.00 H new ATOM 461 N VAL A 30 0.654 4.065 -5.192 1.00 0.00 N ATOM 462 CA VAL A 30 0.550 2.742 -5.785 1.00 0.00 C ATOM 463 C VAL A 30 0.195 1.727 -4.697 1.00 0.00 C ATOM 464 O VAL A 30 0.612 1.870 -3.549 1.00 0.00 O ATOM 465 CB VAL A 30 1.844 2.398 -6.525 1.00 0.00 C ATOM 466 CG1 VAL A 30 1.837 0.941 -6.992 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.073 3.350 -7.701 1.00 0.00 C ATOM 0 H VAL A 30 1.176 4.100 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.249 2.717 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 30 2.672 2.522 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.768 0.722 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.743 0.283 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.996 0.779 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.999 3.083 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.240 3.272 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.143 4.373 -7.332 1.00 0.00 H new ATOM 477 N LEU A 31 -0.572 0.723 -5.097 1.00 0.00 N ATOM 478 CA LEU A 31 -0.988 -0.316 -4.171 1.00 0.00 C ATOM 479 C LEU A 31 -0.459 -1.668 -4.656 1.00 0.00 C ATOM 480 O LEU A 31 -1.169 -2.408 -5.336 1.00 0.00 O ATOM 481 CB LEU A 31 -2.505 -0.284 -3.975 1.00 0.00 C ATOM 482 CG LEU A 31 -3.015 -0.739 -2.606 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.357 -2.230 -2.617 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.013 -0.389 -1.504 1.00 0.00 C ATOM 0 H LEU A 31 -0.916 0.607 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.559 -0.140 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.852 0.734 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.963 -0.913 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.936 -0.199 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.717 -2.528 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.132 -2.420 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.466 -2.806 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.400 -0.723 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.063 -0.884 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.861 0.690 -1.479 1.00 0.00 H new ATOM 496 N ASP A 32 0.782 -1.948 -4.288 1.00 0.00 N ATOM 497 CA ASP A 32 1.414 -3.197 -4.677 1.00 0.00 C ATOM 498 C ASP A 32 0.757 -4.354 -3.920 1.00 0.00 C ATOM 499 O ASP A 32 0.306 -4.182 -2.788 1.00 0.00 O ATOM 500 CB ASP A 32 2.904 -3.192 -4.332 1.00 0.00 C ATOM 501 CG ASP A 32 3.515 -4.572 -4.082 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.221 -5.478 -4.892 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.263 -4.690 -3.087 1.00 0.00 O ATOM 0 H ASP A 32 1.367 -1.331 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 32 1.294 -3.314 -5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.448 -2.712 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.054 -2.579 -3.443 1.00 0.00 H new ATOM 508 N LYS A 33 0.726 -5.505 -4.574 1.00 0.00 N ATOM 509 CA LYS A 33 0.132 -6.689 -3.977 1.00 0.00 C ATOM 510 C LYS A 33 1.173 -7.809 -3.932 1.00 0.00 C ATOM 511 O LYS A 33 1.270 -8.532 -2.941 1.00 0.00 O ATOM 512 CB LYS A 33 -1.153 -7.074 -4.713 1.00 0.00 C ATOM 513 CG LYS A 33 -0.982 -6.929 -6.227 1.00 0.00 C ATOM 514 CD LYS A 33 -1.710 -8.050 -6.970 1.00 0.00 C ATOM 515 CE LYS A 33 -3.149 -7.646 -7.299 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.780 -8.651 -8.183 1.00 0.00 N ATOM 0 H LYS A 33 1.103 -5.643 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.166 -6.488 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.421 -8.102 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.974 -6.442 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.369 -5.963 -6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.078 -6.948 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.176 -8.288 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.713 -8.953 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.725 -7.549 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.157 -6.670 -7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.756 -8.362 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.239 -8.723 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.789 -9.575 -7.706 1.00 0.00 H new ATOM 530 N THR A 34 1.926 -7.918 -5.017 1.00 0.00 N ATOM 531 CA THR A 34 2.957 -8.937 -5.113 1.00 0.00 C ATOM 532 C THR A 34 3.872 -8.889 -3.888 1.00 0.00 C ATOM 533 O THR A 34 4.208 -9.926 -3.318 1.00 0.00 O ATOM 534 CB THR A 34 3.700 -8.734 -6.435 1.00 0.00 C ATOM 535 OG1 THR A 34 4.343 -7.472 -6.282 1.00 0.00 O ATOM 536 CG2 THR A 34 2.750 -8.528 -7.616 1.00 0.00 C ATOM 0 H THR A 34 1.842 -7.317 -5.837 1.00 0.00 H new ATOM 0 HA THR A 34 2.525 -9.938 -5.116 1.00 0.00 H new ATOM 0 HB THR A 34 4.337 -9.597 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.687 -6.804 -5.992 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.329 -8.389 -8.529 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.108 -9.402 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.135 -7.646 -7.439 1.00 0.00 H new ATOM 544 N LYS A 35 4.248 -7.673 -3.518 1.00 0.00 N ATOM 545 CA LYS A 35 5.118 -7.476 -2.371 1.00 0.00 C ATOM 546 C LYS A 35 4.360 -6.703 -1.289 1.00 0.00 C ATOM 547 O LYS A 35 4.907 -6.420 -0.225 1.00 0.00 O ATOM 548 CB LYS A 35 6.427 -6.810 -2.799 1.00 0.00 C ATOM 549 CG LYS A 35 7.342 -7.808 -3.512 1.00 0.00 C ATOM 550 CD LYS A 35 8.732 -7.831 -2.874 1.00 0.00 C ATOM 551 CE LYS A 35 9.764 -8.433 -3.830 1.00 0.00 C ATOM 552 NZ LYS A 35 11.130 -8.280 -3.281 1.00 0.00 N ATOM 0 H LYS A 35 3.966 -6.815 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 35 5.402 -8.436 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.213 -5.971 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.936 -6.405 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.902 -8.804 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.426 -7.541 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.029 -6.818 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.703 -8.411 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.547 -9.489 -3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.699 -7.942 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.818 -8.694 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.340 -7.270 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.193 -8.769 -2.365 1.00 0.00 H new ATOM 566 N HIS A 36 3.112 -6.384 -1.600 1.00 0.00 N ATOM 567 CA HIS A 36 2.274 -5.649 -0.668 1.00 0.00 C ATOM 568 C HIS A 36 3.049 -4.453 -0.113 1.00 0.00 C ATOM 569 O HIS A 36 3.659 -4.543 0.952 1.00 0.00 O ATOM 570 CB HIS A 36 1.744 -6.573 0.431 1.00 0.00 C ATOM 571 CG HIS A 36 2.800 -7.452 1.056 1.00 0.00 C ATOM 572 ND1 HIS A 36 2.905 -8.805 0.787 1.00 0.00 N ATOM 573 CD2 HIS A 36 3.796 -7.157 1.940 1.00 0.00 C ATOM 574 CE1 HIS A 36 3.922 -9.293 1.483 1.00 0.00 C ATOM 575 NE2 HIS A 36 4.472 -8.270 2.197 1.00 0.00 N ATOM 0 H HIS A 36 2.661 -6.621 -2.484 1.00 0.00 H new ATOM 0 HA HIS A 36 1.399 -5.260 -1.189 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.283 -5.966 1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.960 -7.205 0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.000 -6.183 2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.256 -10.320 1.484 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.272 -8.347 2.825 1.00 0.00 H new ATOM 583 N GLN A 37 3.000 -3.359 -0.859 1.00 0.00 N ATOM 584 CA GLN A 37 3.691 -2.146 -0.455 1.00 0.00 C ATOM 585 C GLN A 37 3.003 -0.918 -1.056 1.00 0.00 C ATOM 586 O GLN A 37 2.324 -1.020 -2.077 1.00 0.00 O ATOM 587 CB GLN A 37 5.167 -2.197 -0.854 1.00 0.00 C ATOM 588 CG GLN A 37 5.847 -3.441 -0.279 1.00 0.00 C ATOM 589 CD GLN A 37 7.356 -3.408 -0.535 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.819 -3.233 -1.650 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.093 -3.586 0.557 1.00 0.00 N ATOM 0 H GLN A 37 2.493 -3.287 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 37 3.645 -2.069 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.254 -2.200 -1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.675 -1.302 -0.496 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.657 -3.501 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.417 -4.336 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.641 -3.727 1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.111 -3.581 0.492 1.00 0.00 H new ATOM 600 N LEU A 38 3.202 0.214 -0.397 1.00 0.00 N ATOM 601 CA LEU A 38 2.609 1.459 -0.854 1.00 0.00 C ATOM 602 C LEU A 38 3.707 2.367 -1.411 1.00 0.00 C ATOM 603 O LEU A 38 4.457 2.979 -0.652 1.00 0.00 O ATOM 604 CB LEU A 38 1.788 2.103 0.265 1.00 0.00 C ATOM 605 CG LEU A 38 0.681 3.060 -0.182 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.530 2.970 0.749 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.208 4.492 -0.299 1.00 0.00 C ATOM 0 H LEU A 38 3.765 0.295 0.449 1.00 0.00 H new ATOM 0 HA LEU A 38 1.907 1.271 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.337 1.309 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.468 2.646 0.921 1.00 0.00 H new ATOM 0 HG LEU A 38 0.348 2.757 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.302 3.660 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.922 1.953 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.229 3.233 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.401 5.152 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.584 4.821 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.014 4.524 -1.032 1.00 0.00 H new ATOM 619 N ARG A 39 3.767 2.427 -2.734 1.00 0.00 N ATOM 620 CA ARG A 39 4.760 3.250 -3.402 1.00 0.00 C ATOM 621 C ARG A 39 4.097 4.476 -4.032 1.00 0.00 C ATOM 622 O ARG A 39 3.068 4.357 -4.696 1.00 0.00 O ATOM 623 CB ARG A 39 5.491 2.459 -4.488 1.00 0.00 C ATOM 624 CG ARG A 39 6.170 1.219 -3.901 1.00 0.00 C ATOM 625 CD ARG A 39 5.846 -0.027 -4.727 1.00 0.00 C ATOM 626 NE ARG A 39 7.042 -0.892 -4.830 1.00 0.00 N ATOM 627 CZ ARG A 39 7.161 -1.910 -5.692 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.157 -2.198 -6.532 1.00 0.00 N ATOM 629 NH2 ARG A 39 8.284 -2.641 -5.715 1.00 0.00 N ATOM 0 H ARG A 39 3.143 1.918 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 39 5.484 3.570 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.785 2.159 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.237 3.094 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.249 1.370 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.841 1.073 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.028 -0.578 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.511 0.264 -5.723 1.00 0.00 H new ATOM 0 HE ARG A 39 7.825 -0.701 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.302 -1.642 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.248 -2.973 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.048 -2.422 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.374 -3.416 -6.372 1.00 0.00 H new ATOM 643 N TYR A 40 4.713 5.626 -3.802 1.00 0.00 N ATOM 644 CA TYR A 40 4.195 6.873 -4.340 1.00 0.00 C ATOM 645 C TYR A 40 5.278 7.629 -5.112 1.00 0.00 C ATOM 646 O TYR A 40 6.395 7.793 -4.622 1.00 0.00 O ATOM 647 CB TYR A 40 3.770 7.709 -3.131 1.00 0.00 C ATOM 648 CG TYR A 40 4.916 8.052 -2.177 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.365 7.111 -1.272 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.500 9.301 -2.221 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.443 7.434 -0.374 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.579 9.624 -1.323 1.00 0.00 C ATOM 653 CZ TYR A 40 6.997 8.674 -0.444 1.00 0.00 C ATOM 654 OH TYR A 40 8.016 8.979 0.404 1.00 0.00 O ATOM 0 H TYR A 40 5.566 5.721 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 40 3.371 6.682 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.316 8.635 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.002 7.167 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.908 6.133 -1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.148 10.037 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.804 6.708 0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.045 10.598 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 40 8.314 9.898 0.240 1.00 0.00 H new ATOM 664 N TYR A 41 4.910 8.071 -6.306 1.00 0.00 N ATOM 665 CA TYR A 41 5.836 8.806 -7.150 1.00 0.00 C ATOM 666 C TYR A 41 5.266 10.175 -7.527 1.00 0.00 C ATOM 667 O TYR A 41 4.089 10.446 -7.296 1.00 0.00 O ATOM 668 CB TYR A 41 6.003 7.969 -8.420 1.00 0.00 C ATOM 669 CG TYR A 41 6.342 6.500 -8.158 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.378 5.649 -7.657 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.612 6.027 -8.421 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.697 4.266 -7.410 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.930 4.645 -8.174 1.00 0.00 C ATOM 674 CZ TYR A 41 6.958 3.833 -7.681 1.00 0.00 C ATOM 675 OH TYR A 41 7.259 2.527 -7.448 1.00 0.00 O ATOM 0 H TYR A 41 3.983 7.934 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 41 6.780 8.972 -6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.082 8.021 -9.000 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.790 8.409 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.385 6.020 -7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.367 6.694 -8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.952 3.589 -7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.919 4.262 -8.376 1.00 0.00 H new ATOM 0 HH TYR A 41 8.194 2.359 -7.688 1.00 0.00 H new ATOM 836 N VAL A 52 8.800 3.784 0.524 1.00 0.00 N ATOM 837 CA VAL A 52 7.963 2.597 0.486 1.00 0.00 C ATOM 838 C VAL A 52 7.301 2.402 1.852 1.00 0.00 C ATOM 839 O VAL A 52 7.866 2.775 2.879 1.00 0.00 O ATOM 840 CB VAL A 52 8.788 1.388 0.043 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.176 0.086 0.564 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.937 1.354 -1.479 1.00 0.00 C ATOM 0 HA VAL A 52 7.166 2.715 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 52 9.784 1.486 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.782 -0.758 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.146 0.108 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.163 -0.021 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.528 0.485 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.951 1.292 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.438 2.261 -1.816 1.00 0.00 H new ATOM 852 N ILE A 53 6.113 1.817 1.820 1.00 0.00 N ATOM 853 CA ILE A 53 5.368 1.567 3.043 1.00 0.00 C ATOM 854 C ILE A 53 4.949 0.096 3.088 1.00 0.00 C ATOM 855 O ILE A 53 3.986 -0.299 2.434 1.00 0.00 O ATOM 856 CB ILE A 53 4.197 2.544 3.166 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.527 3.882 2.501 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.779 2.717 4.627 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.301 4.798 2.473 1.00 0.00 C ATOM 0 H ILE A 53 5.647 1.509 0.966 1.00 0.00 H new ATOM 0 HA ILE A 53 5.996 1.747 3.915 1.00 0.00 H new ATOM 0 HB ILE A 53 3.343 2.123 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.338 4.370 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.880 3.710 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.945 3.416 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.474 1.753 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.620 3.105 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.563 5.742 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.500 4.317 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.966 4.988 3.493 1.00 0.00 H new ATOM 871 N ASP A 54 5.694 -0.674 3.867 1.00 0.00 N ATOM 872 CA ASP A 54 5.412 -2.092 4.007 1.00 0.00 C ATOM 873 C ASP A 54 3.975 -2.277 4.498 1.00 0.00 C ATOM 874 O ASP A 54 3.708 -2.186 5.695 1.00 0.00 O ATOM 875 CB ASP A 54 6.348 -2.742 5.029 1.00 0.00 C ATOM 876 CG ASP A 54 6.347 -4.272 5.025 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.458 -4.837 4.353 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.236 -4.841 5.695 1.00 0.00 O ATOM 0 H ASP A 54 6.493 -0.342 4.408 1.00 0.00 H new ATOM 0 HA ASP A 54 5.558 -2.562 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.364 -2.394 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.071 -2.396 6.025 1.00 0.00 H new ATOM 883 N LEU A 55 3.087 -2.532 3.548 1.00 0.00 N ATOM 884 CA LEU A 55 1.684 -2.729 3.869 1.00 0.00 C ATOM 885 C LEU A 55 1.551 -3.880 4.869 1.00 0.00 C ATOM 886 O LEU A 55 0.547 -3.983 5.572 1.00 0.00 O ATOM 887 CB LEU A 55 0.865 -2.926 2.592 1.00 0.00 C ATOM 888 CG LEU A 55 0.722 -1.698 1.691 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.334 -2.105 0.267 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.264 -0.692 2.288 1.00 0.00 C ATOM 0 H LEU A 55 3.312 -2.607 2.556 1.00 0.00 H new ATOM 0 HA LEU A 55 1.274 -1.840 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.322 -3.727 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.132 -3.264 2.872 1.00 0.00 H new ATOM 0 HG LEU A 55 1.691 -1.203 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.239 -1.214 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.104 -2.755 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.617 -2.636 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.347 0.171 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.242 -1.161 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.094 -0.368 3.265 1.00 0.00 H new ATOM 902 N ALA A 56 2.578 -4.716 4.900 1.00 0.00 N ATOM 903 CA ALA A 56 2.588 -5.855 5.802 1.00 0.00 C ATOM 904 C ALA A 56 2.774 -5.362 7.238 1.00 0.00 C ATOM 905 O ALA A 56 2.535 -6.104 8.189 1.00 0.00 O ATOM 906 CB ALA A 56 3.684 -6.834 5.375 1.00 0.00 C ATOM 0 H ALA A 56 3.409 -4.628 4.315 1.00 0.00 H new ATOM 0 HA ALA A 56 1.638 -6.388 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.692 -7.689 6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.490 -7.177 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.652 -6.334 5.410 1.00 0.00 H new ATOM 912 N GLU A 57 3.198 -4.111 7.350 1.00 0.00 N ATOM 913 CA GLU A 57 3.419 -3.510 8.654 1.00 0.00 C ATOM 914 C GLU A 57 2.154 -2.791 9.128 1.00 0.00 C ATOM 915 O GLU A 57 2.035 -2.444 10.302 1.00 0.00 O ATOM 916 CB GLU A 57 4.613 -2.554 8.623 1.00 0.00 C ATOM 917 CG GLU A 57 5.933 -3.327 8.611 1.00 0.00 C ATOM 918 CD GLU A 57 7.123 -2.383 8.797 1.00 0.00 C ATOM 919 OE1 GLU A 57 7.147 -1.354 8.088 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.981 -2.712 9.644 1.00 0.00 O ATOM 0 H GLU A 57 3.394 -3.498 6.559 1.00 0.00 H new ATOM 0 HA GLU A 57 3.650 -4.305 9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.552 -1.918 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.580 -1.897 9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.929 -4.073 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.035 -3.865 7.669 1.00 0.00 H new ATOM 927 N VAL A 58 1.240 -2.589 8.189 1.00 0.00 N ATOM 928 CA VAL A 58 -0.011 -1.917 8.496 1.00 0.00 C ATOM 929 C VAL A 58 -0.782 -2.734 9.535 1.00 0.00 C ATOM 930 O VAL A 58 -1.087 -3.904 9.308 1.00 0.00 O ATOM 931 CB VAL A 58 -0.807 -1.682 7.211 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.256 -1.304 7.525 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.139 -0.616 6.340 1.00 0.00 C ATOM 0 H VAL A 58 1.341 -2.879 7.216 1.00 0.00 H new ATOM 0 HA VAL A 58 0.179 -0.935 8.930 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.819 -2.616 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.800 -1.142 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.729 -2.110 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.273 -0.390 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.725 -0.468 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.082 0.322 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.867 -0.942 6.074 1.00 0.00 H new ATOM 943 N GLU A 59 -1.075 -2.085 10.653 1.00 0.00 N ATOM 944 CA GLU A 59 -1.804 -2.737 11.727 1.00 0.00 C ATOM 945 C GLU A 59 -3.297 -2.791 11.399 1.00 0.00 C ATOM 946 O GLU A 59 -3.985 -3.739 11.775 1.00 0.00 O ATOM 947 CB GLU A 59 -1.562 -2.030 13.062 1.00 0.00 C ATOM 948 CG GLU A 59 -0.080 -2.070 13.443 1.00 0.00 C ATOM 949 CD GLU A 59 0.128 -2.834 14.752 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.219 -4.034 14.771 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.630 -2.200 15.705 1.00 0.00 O ATOM 0 H GLU A 59 -0.821 -1.115 10.838 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.435 -3.758 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.896 -0.995 12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.155 -2.507 13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.492 -2.545 12.646 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.300 -1.054 13.546 1.00 0.00 H new ATOM 958 N ALA A 60 -3.755 -1.763 10.700 1.00 0.00 N ATOM 959 CA ALA A 60 -5.154 -1.681 10.317 1.00 0.00 C ATOM 960 C ALA A 60 -5.477 -0.250 9.883 1.00 0.00 C ATOM 961 O ALA A 60 -4.780 0.690 10.263 1.00 0.00 O ATOM 962 CB ALA A 60 -6.030 -2.150 11.480 1.00 0.00 C ATOM 0 H ALA A 60 -3.181 -0.979 10.389 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.359 -2.336 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.080 -2.088 11.193 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.782 -3.182 11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.854 -1.514 12.348 1.00 0.00 H new ATOM 968 N VAL A 61 -6.534 -0.130 9.093 1.00 0.00 N ATOM 969 CA VAL A 61 -6.957 1.171 8.603 1.00 0.00 C ATOM 970 C VAL A 61 -8.378 1.458 9.094 1.00 0.00 C ATOM 971 O VAL A 61 -9.169 0.537 9.288 1.00 0.00 O ATOM 972 CB VAL A 61 -6.830 1.223 7.079 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.884 -0.181 6.476 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.905 2.124 6.469 1.00 0.00 C ATOM 0 H VAL A 61 -7.110 -0.912 8.780 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.311 1.956 8.997 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.858 1.653 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.792 -0.115 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.065 -0.780 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.834 -0.650 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.792 2.143 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.892 1.737 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.799 3.135 6.863 1.00 0.00 H new ATOM 984 N ALA A 62 -8.657 2.740 9.281 1.00 0.00 N ATOM 985 CA ALA A 62 -9.969 3.160 9.746 1.00 0.00 C ATOM 986 C ALA A 62 -10.380 4.437 9.012 1.00 0.00 C ATOM 987 O ALA A 62 -9.540 5.287 8.719 1.00 0.00 O ATOM 988 CB ALA A 62 -9.937 3.344 11.264 1.00 0.00 C ATOM 0 H ALA A 62 -7.998 3.501 9.119 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.717 2.398 9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.920 3.659 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.668 2.401 11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.200 4.104 11.523 1.00 0.00 H new ATOM 994 N PRO A 63 -11.706 4.535 8.728 1.00 0.00 N ATOM 995 CA PRO A 63 -12.239 5.695 8.033 1.00 0.00 C ATOM 996 C PRO A 63 -12.314 6.906 8.966 1.00 0.00 C ATOM 997 O PRO A 63 -13.331 7.127 9.622 1.00 0.00 O ATOM 998 CB PRO A 63 -13.601 5.255 7.520 1.00 0.00 C ATOM 999 CG PRO A 63 -13.978 4.030 8.337 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.730 3.548 9.058 1.00 0.00 C ATOM 0 HA PRO A 63 -11.604 6.020 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.339 6.048 7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.560 5.018 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.762 4.276 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.372 3.246 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.892 3.490 10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.441 2.551 8.725 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.224 7.658 8.995 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.153 8.841 9.836 1.00 0.00 C ATOM 1010 C GLY A 64 -12.001 9.976 9.258 1.00 0.00 C ATOM 1011 O GLY A 64 -12.734 9.778 8.291 1.00 0.00 O ATOM 0 H GLY A 64 -10.383 7.471 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.499 8.599 10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.116 9.166 9.926 1.00 0.00 H new ATOM 1015 N THR A 65 -11.872 11.141 9.876 1.00 0.00 N ATOM 1016 CA THR A 65 -12.616 12.309 9.435 1.00 0.00 C ATOM 1017 C THR A 65 -11.682 13.312 8.755 1.00 0.00 C ATOM 1018 O THR A 65 -10.473 13.291 8.981 1.00 0.00 O ATOM 1019 CB THR A 65 -13.351 12.886 10.647 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.432 12.718 11.723 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.561 12.044 11.055 1.00 0.00 C ATOM 0 H THR A 65 -11.263 11.301 10.679 1.00 0.00 H new ATOM 0 HA THR A 65 -13.359 12.044 8.682 1.00 0.00 H new ATOM 0 HB THR A 65 -13.676 13.902 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.828 13.068 12.549 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.046 12.498 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.267 11.997 10.226 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.234 11.036 11.311 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.294 14.189 7.916 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.531 15.198 7.201 1.00 0.00 C ATOM 1031 C PRO A 66 -11.112 16.333 8.138 1.00 0.00 C ATOM 1032 O PRO A 66 -11.901 17.233 8.420 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.444 15.661 6.078 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.847 15.236 6.480 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.724 14.243 7.625 1.00 0.00 C ATOM 0 HA PRO A 66 -10.594 14.811 6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.386 16.742 5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.156 15.209 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.435 16.101 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.365 14.782 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.293 14.569 8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.108 13.263 7.342 1.00 0.00 H new ATOM 1043 N THR A 67 -9.870 16.254 8.594 1.00 0.00 N ATOM 1044 CA THR A 67 -9.337 17.263 9.492 1.00 0.00 C ATOM 1045 C THR A 67 -9.043 18.556 8.728 1.00 0.00 C ATOM 1046 O THR A 67 -9.249 18.626 7.518 1.00 0.00 O ATOM 1047 CB THR A 67 -8.108 16.675 10.188 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.229 16.343 9.117 1.00 0.00 O ATOM 1049 CG2 THR A 67 -8.401 15.332 10.859 1.00 0.00 C ATOM 0 H THR A 67 -9.218 15.506 8.358 1.00 0.00 H new ATOM 0 HA THR A 67 -10.063 17.534 10.258 1.00 0.00 H new ATOM 0 HB THR A 67 -7.741 17.380 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.570 15.687 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.495 14.959 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.181 15.463 11.609 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.736 14.616 10.109 1.00 0.00 H new ATOM 1057 N ILE A 68 -8.566 19.547 9.467 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.241 20.833 8.874 1.00 0.00 C ATOM 1059 C ILE A 68 -6.983 20.691 8.015 1.00 0.00 C ATOM 1060 O ILE A 68 -5.985 20.125 8.459 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.129 21.909 9.957 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.503 22.249 10.537 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.408 23.149 9.424 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.427 22.438 12.053 1.00 0.00 C ATOM 0 H ILE A 68 -8.397 19.485 10.471 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.043 21.161 8.213 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.526 21.511 10.773 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.883 23.159 10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.208 21.452 10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.341 23.898 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.405 22.875 9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.964 23.559 8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.417 22.679 12.440 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.070 21.518 12.517 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.739 23.252 12.284 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.072 21.214 6.801 1.00 0.00 N ATOM 1077 CA GLY A 69 -5.954 21.153 5.876 1.00 0.00 C ATOM 1078 C GLY A 69 -6.277 20.249 4.684 1.00 0.00 C ATOM 1079 O GLY A 69 -5.944 20.575 3.546 1.00 0.00 O ATOM 0 H GLY A 69 -7.902 21.682 6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.715 22.156 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.070 20.778 6.392 1.00 0.00 H new ATOM 1083 N ALA A 70 -6.922 19.132 4.987 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.294 18.180 3.955 1.00 0.00 C ATOM 1085 C ALA A 70 -8.054 18.908 2.844 1.00 0.00 C ATOM 1086 O ALA A 70 -8.508 20.035 3.034 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.114 17.047 4.576 1.00 0.00 C ATOM 0 H ALA A 70 -7.196 18.865 5.933 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.406 17.733 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.393 16.333 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.519 16.542 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.015 17.458 5.032 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.172 18.216 1.679 1.00 0.00 N ATOM 1094 CA PRO A 71 -8.869 18.785 0.539 1.00 0.00 C ATOM 1095 C PRO A 71 -10.384 18.755 0.751 1.00 0.00 C ATOM 1096 O PRO A 71 -10.913 17.813 1.339 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.419 17.954 -0.652 1.00 0.00 C ATOM 1098 CG PRO A 71 -7.855 16.667 -0.072 1.00 0.00 C ATOM 1099 CD PRO A 71 -7.647 16.879 1.418 1.00 0.00 C ATOM 0 HA PRO A 71 -8.633 19.838 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.254 17.748 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.665 18.483 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.540 15.837 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.913 16.411 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.175 16.125 2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.592 16.809 1.685 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.040 19.796 0.259 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.483 19.900 0.387 1.00 0.00 C ATOM 1109 C LYS A 72 -13.148 18.895 -0.554 1.00 0.00 C ATOM 1110 O LYS A 72 -14.191 18.329 -0.228 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.938 21.344 0.166 1.00 0.00 C ATOM 1112 CG LYS A 72 -12.632 22.209 1.390 1.00 0.00 C ATOM 1113 CD LYS A 72 -11.255 22.864 1.269 1.00 0.00 C ATOM 1114 CE LYS A 72 -11.303 24.072 0.331 1.00 0.00 C ATOM 1115 NZ LYS A 72 -11.980 25.212 0.989 1.00 0.00 N ATOM 0 H LYS A 72 -10.598 20.575 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.795 19.643 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.437 21.757 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.008 21.364 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.397 22.979 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.669 21.597 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.910 23.178 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.534 22.137 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.291 24.358 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.831 23.808 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.758 26.090 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.008 25.057 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.650 25.291 1.972 1.00 0.00 H new ATOM 1129 N THR A 73 -12.518 18.702 -1.704 1.00 0.00 N ATOM 1130 CA THR A 73 -13.036 17.775 -2.695 1.00 0.00 C ATOM 1131 C THR A 73 -13.415 16.447 -2.036 1.00 0.00 C ATOM 1132 O THR A 73 -14.590 16.086 -1.990 1.00 0.00 O ATOM 1133 CB THR A 73 -11.987 17.628 -3.799 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.746 17.617 -3.099 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.900 18.867 -4.692 1.00 0.00 C ATOM 0 H THR A 73 -11.653 19.172 -1.971 1.00 0.00 H new ATOM 0 HA THR A 73 -13.954 18.151 -3.147 1.00 0.00 H new ATOM 0 HB THR A 73 -12.222 16.756 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.010 17.523 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.141 18.710 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.865 19.041 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.632 19.733 -4.087 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.398 15.756 -1.544 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.609 14.476 -0.890 1.00 0.00 C ATOM 1145 C VAL A 74 -13.693 14.627 0.180 1.00 0.00 C ATOM 1146 O VAL A 74 -13.800 15.674 0.816 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.286 13.949 -0.330 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.483 12.600 0.364 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.226 13.851 -1.429 1.00 0.00 C ATOM 0 H VAL A 74 -11.425 16.058 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.961 13.735 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.931 14.660 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.528 12.248 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.190 12.714 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.872 11.876 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.296 13.474 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.571 13.171 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.055 14.838 -1.859 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.469 13.566 0.344 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.541 13.568 1.325 1.00 0.00 C ATOM 1161 C ASP A 75 -15.105 12.764 2.552 1.00 0.00 C ATOM 1162 O ASP A 75 -14.244 11.891 2.452 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.806 12.920 0.760 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.097 13.708 0.996 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -17.985 14.941 1.169 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.165 13.059 0.997 1.00 0.00 O ATOM 0 H ASP A 75 -14.377 12.699 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.754 14.604 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.675 12.778 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.917 11.929 1.201 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.719 13.087 3.680 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.405 12.405 4.925 1.00 0.00 C ATOM 1173 C GLU A 76 -15.517 10.890 4.743 1.00 0.00 C ATOM 1174 O GLU A 76 -14.943 10.125 5.516 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.311 12.890 6.059 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.752 12.422 5.848 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.604 13.532 5.229 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.827 14.537 5.938 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.014 13.350 4.063 1.00 0.00 O ATOM 0 H GLU A 76 -16.432 13.812 3.759 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.377 12.643 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.939 12.515 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.282 13.978 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.762 11.546 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.183 12.117 6.802 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.260 10.503 3.716 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.454 9.093 3.423 1.00 0.00 C ATOM 1188 C LYS A 77 -15.375 8.627 2.444 1.00 0.00 C ATOM 1189 O LYS A 77 -15.607 7.723 1.643 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.881 8.839 2.932 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.869 8.827 4.101 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.071 7.932 3.793 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.343 8.764 3.620 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.543 7.905 3.738 1.00 0.00 N ATOM 0 H LYS A 77 -16.734 11.141 3.077 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.342 8.497 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.167 9.611 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.924 7.886 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.368 8.472 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.210 9.842 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.880 7.360 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.210 7.212 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.376 9.551 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.334 9.255 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.398 8.485 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.517 7.170 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.558 7.456 4.676 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.217 9.264 2.542 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.101 8.926 1.675 1.00 0.00 C ATOM 1210 C ALA A 78 -11.788 9.176 2.420 1.00 0.00 C ATOM 1211 O ALA A 78 -10.737 9.327 1.799 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.199 9.732 0.378 1.00 0.00 C ATOM 0 H ALA A 78 -14.028 10.012 3.209 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.131 7.870 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.362 9.478 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.135 9.496 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.170 10.797 0.608 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.891 9.211 3.740 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.725 9.440 4.576 1.00 0.00 C ATOM 1220 C PHE A 79 -10.446 8.231 5.471 1.00 0.00 C ATOM 1221 O PHE A 79 -11.209 7.947 6.393 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.037 10.651 5.457 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.675 11.994 4.820 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.568 12.626 4.012 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.461 12.556 5.063 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.231 13.872 3.421 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.124 13.802 4.472 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.017 14.434 3.663 1.00 0.00 C ATOM 0 H PHE A 79 -12.764 9.085 4.252 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.847 9.606 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.100 10.649 5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.498 10.550 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.533 12.180 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.753 12.054 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.940 14.374 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.159 14.248 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.761 15.382 3.213 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.351 7.550 5.168 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.961 6.378 5.934 1.00 0.00 C ATOM 1240 C PHE A 80 -7.528 6.513 6.453 1.00 0.00 C ATOM 1241 O PHE A 80 -6.609 6.790 5.683 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.037 5.180 4.986 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.005 5.213 3.857 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.196 6.026 2.784 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.896 4.428 3.927 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.238 6.057 1.737 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.938 4.459 2.879 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.129 5.273 1.806 1.00 0.00 C ATOM 0 H PHE A 80 -8.721 7.787 4.402 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.620 6.259 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.901 4.265 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.035 5.137 4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.077 6.648 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.744 3.782 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.390 6.703 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.057 3.836 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.400 5.297 1.009 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.383 6.312 7.754 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.077 6.407 8.385 1.00 0.00 C ATOM 1260 C ASP A 81 -5.410 5.031 8.377 1.00 0.00 C ATOM 1261 O ASP A 81 -5.943 4.075 8.938 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.201 6.865 9.840 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.450 8.154 10.178 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.338 9.001 9.266 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.006 8.264 11.341 1.00 0.00 O ATOM 0 H ASP A 81 -8.148 6.084 8.389 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.485 7.133 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.257 7.006 10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.835 6.069 10.488 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.252 4.973 7.735 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.506 3.730 7.647 1.00 0.00 C ATOM 1272 C VAL A 82 -2.533 3.639 8.824 1.00 0.00 C ATOM 1273 O VAL A 82 -1.530 4.350 8.861 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.810 3.632 6.288 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.825 2.462 6.259 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.833 3.516 5.155 1.00 0.00 C ATOM 0 H VAL A 82 -3.812 5.768 7.271 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.179 2.876 7.715 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.243 4.550 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.344 2.415 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.067 2.605 7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.360 1.531 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.312 3.448 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.439 2.622 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.477 4.395 5.155 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.864 2.759 9.757 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.033 2.566 10.933 1.00 0.00 C ATOM 1288 C LYS A 83 -0.916 1.573 10.605 1.00 0.00 C ATOM 1289 O LYS A 83 -1.175 0.497 10.066 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.888 2.155 12.133 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.874 3.263 12.509 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.070 2.695 13.277 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.470 3.620 14.428 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.180 2.981 15.731 1.00 0.00 N ATOM 0 H LYS A 83 -3.697 2.171 9.722 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.554 3.503 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.434 1.241 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.244 1.932 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.369 4.013 13.118 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.222 3.766 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.914 2.565 12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.821 1.709 13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.928 4.563 14.350 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.532 3.856 14.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.457 3.622 16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.716 2.093 15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.162 2.778 15.799 1.00 0.00 H new ATOM 1308 N THR A 84 0.302 1.968 10.943 1.00 0.00 N ATOM 1309 CA THR A 84 1.460 1.126 10.691 1.00 0.00 C ATOM 1310 C THR A 84 2.347 1.053 11.935 1.00 0.00 C ATOM 1311 O THR A 84 1.966 1.532 13.003 1.00 0.00 O ATOM 1312 CB THR A 84 2.184 1.674 9.460 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.017 3.086 9.558 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.478 1.305 8.153 1.00 0.00 C ATOM 0 H THR A 84 0.513 2.860 11.390 1.00 0.00 H new ATOM 0 HA THR A 84 1.164 0.098 10.481 1.00 0.00 H new ATOM 0 HB THR A 84 3.205 1.294 9.441 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.203 3.374 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.033 1.718 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.430 0.220 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.467 1.714 8.157 1.00 0.00 H new ATOM 1322 N THR A 85 3.513 0.451 11.757 1.00 0.00 N ATOM 1323 CA THR A 85 4.458 0.309 12.852 1.00 0.00 C ATOM 1324 C THR A 85 5.192 1.629 13.097 1.00 0.00 C ATOM 1325 O THR A 85 5.383 2.033 14.243 1.00 0.00 O ATOM 1326 CB THR A 85 5.395 -0.855 12.520 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.738 -0.645 11.153 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.674 -2.205 12.521 1.00 0.00 C ATOM 0 H THR A 85 3.826 0.055 10.870 1.00 0.00 H new ATOM 0 HA THR A 85 3.948 0.078 13.787 1.00 0.00 H new ATOM 0 HB THR A 85 6.213 -0.880 13.240 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.687 -0.849 11.019 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.383 -2.997 12.280 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.247 -2.389 13.507 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.877 -2.193 11.777 1.00 0.00 H new ATOM 1336 N ARG A 86 5.583 2.264 12.002 1.00 0.00 N ATOM 1337 CA ARG A 86 6.291 3.530 12.084 1.00 0.00 C ATOM 1338 C ARG A 86 5.415 4.586 12.761 1.00 0.00 C ATOM 1339 O ARG A 86 5.719 5.034 13.865 1.00 0.00 O ATOM 1340 CB ARG A 86 6.695 4.026 10.694 1.00 0.00 C ATOM 1341 CG ARG A 86 8.058 3.465 10.286 1.00 0.00 C ATOM 1342 CD ARG A 86 9.059 4.593 10.025 1.00 0.00 C ATOM 1343 NE ARG A 86 9.286 4.742 8.570 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.249 5.504 8.034 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.082 6.189 8.829 1.00 0.00 N ATOM 1346 NH2 ARG A 86 10.380 5.580 6.703 1.00 0.00 N ATOM 0 H ARG A 86 5.423 1.925 11.053 1.00 0.00 H new ATOM 0 HA ARG A 86 7.192 3.368 12.675 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.942 3.728 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.730 5.115 10.689 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.437 2.812 11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.951 2.855 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.682 5.528 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.002 4.378 10.528 1.00 0.00 H new ATOM 0 HE ARG A 86 8.671 4.233 7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.983 6.130 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.815 6.769 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.747 5.058 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.113 6.160 6.295 1.00 0.00 H new ATOM 1360 N ARG A 87 4.346 4.952 12.070 1.00 0.00 N ATOM 1361 CA ARG A 87 3.423 5.947 12.591 1.00 0.00 C ATOM 1362 C ARG A 87 2.070 5.837 11.885 1.00 0.00 C ATOM 1363 O ARG A 87 1.864 4.942 11.067 1.00 0.00 O ATOM 1364 CB ARG A 87 3.975 7.362 12.403 1.00 0.00 C ATOM 1365 CG ARG A 87 4.018 7.741 10.922 1.00 0.00 C ATOM 1366 CD ARG A 87 5.250 8.593 10.609 1.00 0.00 C ATOM 1367 NE ARG A 87 4.896 9.663 9.650 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.593 10.798 9.499 1.00 0.00 C ATOM 1369 NH1 ARG A 87 6.685 11.017 10.244 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.197 11.713 8.604 1.00 0.00 N ATOM 0 H ARG A 87 4.098 4.578 11.154 1.00 0.00 H new ATOM 0 HA ARG A 87 3.297 5.757 13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.354 8.074 12.946 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.977 7.425 12.827 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.032 6.838 10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.115 8.291 10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.642 9.031 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.039 7.967 10.193 1.00 0.00 H new ATOM 0 HE ARG A 87 4.070 9.528 9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.986 10.320 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.216 11.880 10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.365 11.546 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.727 12.577 8.489 1.00 0.00 H new ATOM 1384 N VAL A 88 1.184 6.760 12.227 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.144 6.779 11.637 1.00 0.00 C ATOM 1386 C VAL A 88 -0.147 7.717 10.428 1.00 0.00 C ATOM 1387 O VAL A 88 0.383 8.825 10.497 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.182 7.162 12.694 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.381 7.866 12.055 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.628 5.936 13.493 1.00 0.00 C ATOM 0 H VAL A 88 1.359 7.501 12.906 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.417 5.786 11.279 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.713 7.861 13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.104 8.127 12.828 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.045 8.772 11.551 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.850 7.200 11.330 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.366 6.236 14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.070 5.203 12.818 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.766 5.495 13.993 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.749 7.239 9.349 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.828 8.021 8.128 1.00 0.00 C ATOM 1402 C TYR A 89 -2.246 8.551 7.907 1.00 0.00 C ATOM 1403 O TYR A 89 -3.204 8.030 8.477 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.472 7.063 6.989 1.00 0.00 C ATOM 1405 CG TYR A 89 0.968 6.547 7.038 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.000 7.410 7.348 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.235 5.220 6.771 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.355 6.924 7.394 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.590 4.734 6.817 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.583 5.611 7.126 1.00 0.00 C ATOM 1411 OH TYR A 89 4.863 5.152 7.169 1.00 0.00 O ATOM 0 H TYR A 89 -1.187 6.319 9.295 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.157 8.879 8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.153 6.213 7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.634 7.570 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.791 8.449 7.556 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.428 4.545 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.172 7.588 7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.813 3.697 6.611 1.00 0.00 H new ATOM 0 HH TYR A 89 4.858 4.172 7.197 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.336 9.581 7.077 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.622 10.187 6.774 1.00 0.00 C ATOM 1423 C ASN A 90 -3.800 10.262 5.256 1.00 0.00 C ATOM 1424 O ASN A 90 -3.383 11.232 4.626 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.704 11.610 7.330 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.406 11.627 8.690 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.577 11.946 8.809 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.626 11.267 9.705 1.00 0.00 N ATOM 0 H ASN A 90 -1.540 10.011 6.606 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.400 9.575 7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.701 12.024 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.244 12.247 6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.000 11.246 10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.653 11.012 9.535 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.420 9.224 4.713 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.658 9.160 3.281 1.00 0.00 C ATOM 1437 C PHE A 91 -6.152 9.268 2.969 1.00 0.00 C ATOM 1438 O PHE A 91 -6.990 8.994 3.826 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.146 7.800 2.803 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.650 7.580 3.040 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.803 8.643 3.073 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.168 6.321 3.218 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.415 8.439 3.293 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.781 6.116 3.439 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.067 7.180 3.471 1.00 0.00 C ATOM 0 H PHE A 91 -4.765 8.421 5.239 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.149 9.984 2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.704 7.014 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.353 7.699 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.186 9.643 2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.841 5.477 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.258 9.284 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.399 5.116 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.123 7.024 3.638 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.439 9.668 1.739 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.817 9.815 1.303 1.00 0.00 C ATOM 1457 C CYS A 92 -7.846 9.755 -0.226 1.00 0.00 C ATOM 1458 O CYS A 92 -6.993 10.342 -0.890 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.445 11.105 1.835 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.349 12.527 1.480 1.00 0.00 S ATOM 0 H CYS A 92 -5.741 9.895 1.031 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.418 9.002 1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.420 11.262 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.611 11.022 2.909 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.555 13.464 2.358 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.837 9.041 -0.740 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.989 8.897 -2.178 1.00 0.00 C ATOM 1468 C ALA A 93 -9.611 10.172 -2.751 1.00 0.00 C ATOM 1469 O ALA A 93 -9.932 11.098 -2.008 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.825 7.653 -2.481 1.00 0.00 C ATOM 0 H ALA A 93 -9.543 8.556 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.018 8.761 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.939 7.545 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.325 6.772 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.808 7.754 -2.021 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.762 10.178 -4.067 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.340 11.324 -4.748 1.00 0.00 C ATOM 1478 C GLN A 94 -11.841 11.114 -4.960 1.00 0.00 C ATOM 1479 O GLN A 94 -12.470 11.837 -5.732 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.631 11.587 -6.078 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.675 12.776 -5.964 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.054 13.881 -6.952 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.988 14.639 -6.748 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.280 13.929 -8.033 1.00 0.00 N ATOM 0 H GLN A 94 -9.494 9.408 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.201 12.203 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.077 10.698 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.370 11.783 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.697 13.169 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.654 12.446 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.514 13.264 -8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.452 14.631 -8.753 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.372 10.122 -4.261 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.787 9.808 -4.363 1.00 0.00 C ATOM 1495 C ASP A 95 -14.202 8.950 -3.166 1.00 0.00 C ATOM 1496 O ASP A 95 -13.359 8.326 -2.523 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.085 9.017 -5.637 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.280 9.523 -6.448 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.918 10.489 -5.976 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.529 8.932 -7.521 1.00 0.00 O ATOM 0 H ASP A 95 -11.848 9.525 -3.621 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.340 10.747 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.200 9.035 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.263 7.976 -5.367 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.500 8.947 -2.902 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.037 8.176 -1.794 1.00 0.00 C ATOM 1507 C VAL A 96 -15.929 6.684 -2.116 1.00 0.00 C ATOM 1508 O VAL A 96 -15.473 5.897 -1.288 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.470 8.620 -1.493 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.346 7.424 -1.111 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.494 9.689 -0.399 1.00 0.00 C ATOM 0 H VAL A 96 -16.196 9.467 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.458 8.356 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.882 9.060 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.359 7.767 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.367 6.711 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.936 6.942 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.524 9.987 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.054 9.286 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.921 10.557 -0.725 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.367 6.330 -3.354 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.324 4.946 -3.796 1.00 0.00 C ATOM 1523 C PRO A 97 -14.895 4.527 -4.144 1.00 0.00 C ATOM 1524 O PRO A 97 -14.603 3.337 -4.258 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.268 4.884 -4.986 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.445 6.319 -5.453 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.914 7.234 -4.362 1.00 0.00 C ATOM 0 HA PRO A 97 -16.636 4.246 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.854 4.263 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.225 4.445 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.907 6.486 -6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.496 6.529 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.148 7.907 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.706 7.857 -3.947 1.00 0.00 H new ATOM 1535 N SER A 98 -14.040 5.527 -4.305 1.00 0.00 N ATOM 1536 CA SER A 98 -12.649 5.276 -4.638 1.00 0.00 C ATOM 1537 C SER A 98 -11.869 4.898 -3.377 1.00 0.00 C ATOM 1538 O SER A 98 -10.898 4.146 -3.446 1.00 0.00 O ATOM 1539 CB SER A 98 -12.014 6.496 -5.308 1.00 0.00 C ATOM 1540 OG SER A 98 -12.481 6.675 -6.643 1.00 0.00 O ATOM 0 H SER A 98 -14.285 6.513 -4.211 1.00 0.00 H new ATOM 0 HA SER A 98 -12.611 4.446 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.237 7.388 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.930 6.383 -5.315 1.00 0.00 H new ATOM 0 HG SER A 98 -11.942 7.361 -7.089 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.323 5.437 -2.255 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.680 5.165 -0.980 1.00 0.00 C ATOM 1548 C ALA A 99 -11.978 3.724 -0.561 1.00 0.00 C ATOM 1549 O ALA A 99 -11.064 2.965 -0.244 1.00 0.00 O ATOM 1550 CB ALA A 99 -12.152 6.185 0.058 1.00 0.00 C ATOM 0 H ALA A 99 -13.128 6.061 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.598 5.266 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.670 5.981 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.890 7.190 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.233 6.112 0.174 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.260 3.392 -0.571 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.690 2.056 -0.196 1.00 0.00 C ATOM 1558 C GLN A 100 -12.831 1.004 -0.901 1.00 0.00 C ATOM 1559 O GLN A 100 -12.468 -0.008 -0.303 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.174 1.850 -0.506 1.00 0.00 C ATOM 1561 CG GLN A 100 -16.038 2.865 0.245 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.820 2.758 1.756 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.248 1.807 2.261 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -16.309 3.785 2.446 1.00 0.00 N ATOM 0 H GLN A 100 -14.015 4.025 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.559 1.942 0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.342 1.947 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.470 0.839 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.796 3.873 -0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.089 2.696 0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.777 4.550 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.216 3.808 3.461 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.532 1.279 -2.161 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.722 0.369 -2.954 1.00 0.00 C ATOM 1575 C GLN A 101 -10.318 0.252 -2.358 1.00 0.00 C ATOM 1576 O GLN A 101 -9.743 -0.835 -2.324 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.662 0.819 -4.415 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.989 0.550 -5.127 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.766 0.267 -6.614 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.659 0.027 -7.067 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.876 0.307 -7.345 1.00 0.00 N ATOM 0 H GLN A 101 -12.836 2.119 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.189 -0.616 -2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.429 1.883 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.857 0.293 -4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.489 -0.300 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.649 1.410 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.771 0.514 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.832 0.131 -8.349 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.806 1.386 -1.903 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.480 1.424 -1.311 1.00 0.00 C ATOM 1592 C TRP A 102 -8.506 0.575 -0.038 1.00 0.00 C ATOM 1593 O TRP A 102 -7.769 -0.403 0.076 1.00 0.00 O ATOM 1594 CB TRP A 102 -8.033 2.865 -1.059 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.330 3.516 -2.252 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.825 4.419 -3.110 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.975 3.276 -2.687 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.893 4.777 -4.062 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.731 4.060 -3.797 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.987 2.426 -2.160 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.506 4.071 -4.474 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.768 2.448 -2.848 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.507 3.231 -3.967 1.00 0.00 C ATOM 0 H TRP A 102 -10.286 2.286 -1.932 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.741 1.005 -1.994 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.904 3.464 -0.793 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.361 2.881 -0.201 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.828 4.817 -3.062 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.031 5.445 -4.821 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.155 1.805 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.340 4.694 -5.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.975 1.812 -2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.538 3.191 -4.443 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.364 0.981 0.887 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.496 0.270 2.148 1.00 0.00 C ATOM 1616 C VAL A 103 -9.434 -1.237 1.888 1.00 0.00 C ATOM 1617 O VAL A 103 -8.519 -1.914 2.354 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.780 0.701 2.860 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -11.017 -0.137 4.117 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.746 2.194 3.194 1.00 0.00 C ATOM 0 H VAL A 103 -9.974 1.792 0.789 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.671 0.519 2.815 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.615 0.529 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.936 0.190 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -11.106 -1.188 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.179 -0.011 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.670 2.475 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.898 2.402 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.646 2.770 2.274 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.419 -1.718 1.143 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.487 -3.131 0.815 1.00 0.00 C ATOM 1632 C ASP A 104 -9.096 -3.626 0.416 1.00 0.00 C ATOM 1633 O ASP A 104 -8.503 -4.451 1.110 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.433 -3.379 -0.361 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.563 -4.372 -0.085 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.453 -5.089 0.933 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.513 -4.393 -0.898 1.00 0.00 O ATOM 0 H ASP A 104 -11.176 -1.154 0.758 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.856 -3.663 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.872 -2.427 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.849 -3.742 -1.207 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.615 -3.101 -0.702 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.304 -3.479 -1.203 1.00 0.00 C ATOM 1644 C ARG A 105 -6.314 -3.618 -0.045 1.00 0.00 C ATOM 1645 O ARG A 105 -5.872 -4.721 0.270 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.775 -2.444 -2.197 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.037 -2.884 -3.639 1.00 0.00 C ATOM 1648 CD ARG A 105 -8.223 -2.125 -4.237 1.00 0.00 C ATOM 1649 NE ARG A 105 -9.491 -2.786 -3.855 1.00 0.00 N ATOM 1650 CZ ARG A 105 -10.634 -2.675 -4.545 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -10.675 -1.928 -5.657 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -11.736 -3.310 -4.124 1.00 0.00 N ATOM 0 H ARG A 105 -9.110 -2.417 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.407 -4.436 -1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.253 -1.482 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.705 -2.302 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.147 -2.710 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.236 -3.955 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -8.220 -1.094 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.134 -2.091 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.495 -3.362 -3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.836 -1.444 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.545 -1.843 -6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -11.705 -3.878 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.606 -3.225 -4.650 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.994 -2.482 0.557 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.064 -2.462 1.673 1.00 0.00 C ATOM 1668 C ILE A 106 -5.453 -3.551 2.675 1.00 0.00 C ATOM 1669 O ILE A 106 -4.645 -4.421 2.996 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.990 -1.062 2.285 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.266 -0.092 1.349 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.350 -1.103 3.674 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.673 1.355 1.637 1.00 0.00 C ATOM 0 H ILE A 106 -6.362 -1.568 0.293 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.054 -2.688 1.331 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.007 -0.690 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.188 -0.201 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.498 -0.339 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.310 -0.095 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.944 -1.740 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.339 -1.504 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.144 2.024 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.748 1.466 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.418 1.607 2.666 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.690 -3.467 3.141 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.196 -4.434 4.100 1.00 0.00 C ATOM 1687 C GLN A 107 -6.968 -5.858 3.588 1.00 0.00 C ATOM 1688 O GLN A 107 -6.865 -6.796 4.377 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.676 -4.189 4.397 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.852 -3.422 5.710 1.00 0.00 C ATOM 1691 CD GLN A 107 -8.829 -4.374 6.908 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -8.684 -5.578 6.774 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -8.981 -3.768 8.082 1.00 0.00 N ATOM 0 H GLN A 107 -7.357 -2.744 2.872 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.647 -4.312 5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.126 -3.626 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.202 -5.142 4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.058 -2.683 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.795 -2.876 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.098 -2.755 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.981 -4.316 8.942 1.00 0.00 H new ATOM 1702 N SER A 108 -6.896 -5.974 2.270 1.00 0.00 N ATOM 1703 CA SER A 108 -6.682 -7.268 1.643 1.00 0.00 C ATOM 1704 C SER A 108 -5.202 -7.648 1.721 1.00 0.00 C ATOM 1705 O SER A 108 -4.850 -8.818 1.575 1.00 0.00 O ATOM 1706 CB SER A 108 -7.152 -7.259 0.187 1.00 0.00 C ATOM 1707 OG SER A 108 -8.022 -8.351 -0.099 1.00 0.00 O ATOM 0 H SER A 108 -6.982 -5.194 1.619 1.00 0.00 H new ATOM 0 HA SER A 108 -7.270 -8.011 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.666 -6.321 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.286 -7.302 -0.474 1.00 0.00 H new ATOM 0 HG SER A 108 -8.302 -8.309 -1.037 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.375 -6.639 1.950 1.00 0.00 N ATOM 1714 CA CYS A 109 -2.942 -6.853 2.049 1.00 0.00 C ATOM 1715 C CYS A 109 -2.647 -7.516 3.395 1.00 0.00 C ATOM 1716 O CYS A 109 -2.157 -8.644 3.442 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.161 -5.550 1.871 1.00 0.00 C ATOM 1718 SG CYS A 109 -2.344 -4.939 0.155 1.00 0.00 S ATOM 0 H CYS A 109 -4.671 -5.670 2.070 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.614 -7.509 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.524 -4.800 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.107 -5.714 2.097 1.00 0.00 H new ATOM 0 HG CYS A 109 -3.602 -4.737 -0.102 1.00 0.00 H new